SCHEMBL7449907

SCHEMBL7449907

CCCC[C@H](NC(=O)CNc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
HSD17B10 Q99714 1/20 0.48
NOD1 Q9Y239 2/20 0.48
CNR2 P34972 1/20 0.47
CA2 P00918 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 2/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
ENPP2 Q13822 1/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
PYGL P06737 1/20 0.43
CYP2C9 P11712 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4599332 0.87 FOLH1 (0.55) MMEHSD17B10NOD1CA2MEN1
SCHEMBL4456109 0.82 ERCC1 (0.50) MMECA2MEN1ALDH1A1MAPT
SCHEMBL4456099 0.82 ERCC1 (0.50) MMECA2MEN1ALDH1A1MAPT
SCHEMBL8429586 0.80 KMT2A (0.63) CA2KMT2AERCC1ERCC4PYGL
SCHEMBL8429491 0.80 KMT2A (0.63) CA2KMT2AERCC1ERCC4PYGL
SCHEMBL6349086 0.79 CNR2 (0.73) MMENOD1CNR2MEN1KMT2A
SCHEMBL8074262 0.79 MAPK1 (0.54) MMEALDH1A1MAPK1ACE
SCHEMBL8074253 0.79 MAPK1 (0.54) MMEALDH1A1MAPK1ACE
SCHEMBL6379798 0.79 FPR2 (0.63) MMEHSD17B10MEN1ALDH1A1MAPT
SCHEMBL30139852 0.79 C3AR1 (0.51) CA2KMT2AERCC1ERCC4FOLH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221888-B1 ANTIHISTAMINE, ANTIINFLAMMATORY AGENT, AUTOIMMUNE DISEASE, RHEUMATIC DISORDERS MERCK & CO., INC. 2001-04-24 US disclosed
EP-0998282-A4 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2000-08-30 EP disclosed
EP-0998282-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-10 EP disclosed
WO-1998053818-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed